Valence-bond order (VBO): A new approach to modeling reactive potential energy surfaces for complex systems, materials, and nanoparticles

Engineering & Materials Science

• Potential energy surfaces 100%
• Molecular mechanics 64%
• Nanoparticles 59%
• Large scale systems 51%
• Hydrogen 47%
• Aluminum 46%
• Atoms 41%
• Organic Chemistry 35%
• Molecular orbitals 34%
• Dihedral angle 30%
• Biomolecules 28%
• Metals 25%
• Molecules 19%

Physics & Astronomy

• complex systems 65%
• potential energy 51%
• valence 43%
• nanoparticles 40%
• aluminum 24%
• hydrogen 22%
• organic chemistry 19%
• dihedral angle 15%
• coordination number 13%
• metals 12%
• field theory (physics) 12%
• atoms 12%
• molecular orbitals 11%
• iteration 11%
• interactions 9%
• moments 8%
• requirements 8%
• energy 7%
• molecules 6%
• approximation 6%
• simulation 4%

Chemical Compounds

• Potential Energy Surface 57%
• Molecular Cluster 39%
• Nanoparticle 30%
• Molecular Mechanic 23%
• Dihedral Angle 20%
• Hydrogen 12%
• Purity 12%
• Energy 11%
• Metal 10%
• Ab Initio Calculation 10%
• Error 9%
• Force 8%
• Simulation 7%
• Chemistry 7%
• Molecule 4%